SCHEMBL6993501

SCHEMBL6993501

CC(=O)Oc1ccc(Br)cc1C=Cc1cc2cc(F)ccc2n1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 3/20 0.41
HSD17B10 Q99714 1/20 0.41
HDAC8 Q9BY41 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MCL1 Q07820 1/20 0.38
MEN1 O00255 3/20 0.34
LMNA P02545 3/20 0.34
MAPT P10636 3/20 0.34
KMT2A Q03164 3/20 0.34
NPSR1 Q6W5P4 3/20 0.34
TP53 P04637 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
NFKB1 P19838 1/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6993497 1.00 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10HDAC8
SCHEMBL6996712 0.84 ALB (0.47) KDM4EHPGDALDH1A1HSD17B10MCL1
SCHEMBL6996716 0.84 ALB (0.47) KDM4EHPGDALDH1A1HSD17B10MCL1
SCHEMBL6992637 0.81 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10HDAC8
SCHEMBL6992638 0.81 KDM4E (0.41) KDM4EHPGDALDH1A1HSD17B10HDAC8
SCHEMBL8533967 0.75 KDM4E (0.50) KDM4EHPGDALDH1A1HSD17B10MCL1
SCHEMBL6989986 0.75 ALB (0.51) KDM4EHPGDALDH1A1MCL1MEN1
SCHEMBL6989987 0.75 ALB (0.51) KDM4EHPGDALDH1A1MCL1MEN1
SCHEMBL6991270 0.73 KMT2A (0.58) KDM4EHPGDALDH1A1MCL1MEN1
SCHEMBL6991265 0.73 KMT2A (0.58) KDM4EHPGDALDH1A1MCL1MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0768311-B1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO KK (JP) 2003-08-06 EP disclosed
US-5728709-A COAGULANTS AND ANTITUMOR AGENTS KYOWA HAKKO KOGYO CO., LTD. (JP) 1998-03-17 US disclosed
EP-0768311-A1 PYRROLOCARBAZOLE DERIVATIVES KYOWA HAKKO KOGYO CO., LTD. (JP) 1997-04-16 EP disclosed